Methyl [(2S)-1-{2-[(2S)-2-Benzyl-2-Hydroxy-3-{[(1S,2R)-2-Hydroxy-2,3-Dihydro-1H-Inden-1-Yl]Amino}-3-Oxopropyl]-2-[4-(3-Pyridinyl)Benzyl]Hydrazino}-3,3-Dimethyl-1-Oxo-2-Butanyl]Carbamate (Non-Preferred Name)

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Properties Simple | Detailed

Formula C39H45N5O6
IUPAC Name methyl n-[(1s)-1-[[[(2s)-2-benzyl-2-hydroxy-3-[[(1s,2r)-2-hydroxyindan-1-yl]amino]-3-oxo-propyl]-[[4-(3-pyridyl)phenyl]methyl]amino]carbamoyl]-2,2-dimethyl-propyl]carbamate
Molecular Mass 679.804 g·mol−1
Heat of Formation -766.8 ± 16.7 kJ·mol−1
Dipole Moment 1.74 ± 1.08 D
Volume 837.3 Å 3
Surface Area 579.37 Å 2
HOMO Energy -9.22 ± 0.55 eV
LUMO Energy -0.36 ± eV
Point Group Symmetry C1
Synonyms
  • 4ah
  • methyl n-[(1s)-1-[[[(2s)-2-hydroxy-3-[[(1s,2r)-2-hydroxyindan-1-yl]amino]-3-oxo-2-(phenylmethyl)propyl]-[[4-(3-pyridyl)phenyl]methyl]amino]carbamoyl]-2,2-dimethyl-propyl]carbamate
  • methyl n-[(2s)-1-[2-[(2s)-2-hydroxy-3-[[(1s,2r)-2-hydroxy-2,3-dihydro-1h-inden-1-yl]amino]-3-oxo-2-(phenylmethyl)propyl]-2-[(4-pyridin-3-ylphenyl)methyl]hydrazinyl]-3,3-dimethyl-1-oxo-butan-2-yl]carbamate
  • methyl n-[(2s)-1-[2-[(2s)-2-hydroxy-3-[[(1s,2r)-2-hydroxy-2,3-dihydro-1h-inden-1-yl]amino]-3-oxo-2-(phenylmethyl)propyl]-2-[(4-pyridin-3-ylphenyl)methyl]hydrazinyl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate
  • n-[(1s)-1-[[[(2s)-2-(benzyl)-2-hydroxy-3-[[(1s,2r)-2-hydroxyindan-1-yl]amino]-3-keto-propyl]-[4-(3-pyridyl)benzyl]amino]carbamoyl]-2,2-dimethyl-propyl]carbamic acid methyl ester
  • n-[(1s)-1-[[n'-[(2s)-2-hydroxy-3-[[(1s,2r)-2-hydroxy-1-indanyl]amino]-3-oxo-2-(phenylmethyl)propyl]-n'-[[4-(3-pyridyl)phenyl]methyl]hydrazino]-oxomethyl]-2,2-dimethylpropyl]carbamic acid methyl ester
  • {(1s)-1-[n'-[4-(pyridine-3-yl)-benzyl]-n'-((2s)-2-hydroxy-2-((1s,2r)-2-hydroxy-indan-1-ylcarbamoyl)-3-phenylpropyl)-hydrazinocarbonyl]-2,2-dimethyl-propyl}-carbamic acid methyl ester
InChIKey QPEXKJZILBODNL-NGXTUNLOSA-N
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